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Substance Name: Amphotericin B, N-(beta-alanyl)-, methyl ester
ID: BU26400000
InChIKey: BKJGYLASUBOWKB-ITANGMSUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H80-N2-O18

Molecular Weight

  • 1009.189
 
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Names and Synonyms

Synonym

  • N-(beta-Alanyl)amphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-(beta-alanyl)-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2640000

System Generated Number

  • BU26400000

Structure Descriptors

InChI

1S/C51H80N2O18/c1-30-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(70-50-48(64)45(47(63)33(4)69-50)53-42(60)22-23-52)27-41-44(49(65)67-5)40(59)29-51(66,71-41)28-36(56)25-39(58)38(57)21-20-34(54)24-35(55)26-43(61)68-32(3)31(2)46(30)62/h6-19,30-41,44-48,50,54-59,62-64,66H,20-29,52H2,1-5H3,(H,53,60)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t30-,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41-,44+,45-,46+,47+,48-,50-,51+/m0/s1

InChIKey

BKJGYLASUBOWKB-ITANGMSUSA-N

Smiles

COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@@H](C[C@@H]1O2)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](NC(=O)CCN)[C@@H]3O